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CAS No.: | 132118-52-6 |
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Name: | 7-Bromo-2-chloro-3-ethylquinoline |
Molecular Structure: | |
Formula: | C11H9BrClN |
Molecular Weight: | 270.556 |
Synonyms: | 7-Bromo-2-chloro-3-ethylquinoline; |
Density: | 1.522 g/cm3 |
Boiling Point: | 345.5 °C at 760 mmHg |
Flash Point: | 162.8 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 12.89000 |
LogP: | 4.21310 |
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The 7-Bromo-2-chloro-3-ethylquinoline, with the CAS registry number 132118-52-6, is also known as Quinoline, 7-bromo-2-chloro-3-ethyl-. This chemical's molecular formula is C11H9BrClN and molecular weight is 270.55. Its systematic name is called 7-bromo-2-chloro-3-ethylquinoline.
Physical properties of 7-Bromo-2-chloro-3-ethylquinoline: (1)ACD/LogP: 4.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.54; (4)ACD/LogD (pH 7.4): 4.54; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.643; (9)Molar Refractivity: 64.32 cm3; (10)Molar Volume: 177.7 cm3; (11)Surface Tension: 48.1 dyne/cm; (12)Density: 1.522 g/cm3; (13)Flash Point: 162.8 °C; (14)Enthalpy of Vaporization: 56.63 kJ/mol; (15)Boiling Point: 345.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000122 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCc1cc2ccc(cc2nc1Cl)Br
(2)InChI: InChI=1/C11H9BrClN/c1-2-7-5-8-3-4-9(12)6-10(8)14-11(7)13/h3-6H,2H2,1H3
(3)InChIKey: SNQLRYSTCVHESD-UHFFFAOYAE